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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-34550
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['K', 'Cl', 'O']
  • Chemical System: Cl-K-O
  • Density: 2.408977288513349
  • Atomic Density: 0.059189145300812714
  • Unit Cell Volume: 337.8997939293674
  • Molar Volume: 10.174400609088218
  • Full Formula: K4 Cl4 O12
  • Reduced Formula: KClO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm